Crystal Lattice Structures:	Creation Date: 31 Aug 2002
	Last Modified: 21 Oct 2004

The PtSn₄ (D1_c) Structure

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• While both Pearson's Handbook and Westbrook and Fleischer say that the reference for the D1_c structure is PdSn₄, Pearson's Handbook says that PdSn₄ has the PtSn₄ structure. We'll use the prototype structure rather than the original Strukturbericht designation.
• The coordinates given in Pearson's Handbook actually make the space group higher symmetry than shown here. To get the Aba2 space group we had to assume that the two types of Sn atoms were different species.

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• Prototype: PtSn₄
• Pearson Symbol: oC20
• Strukturbericht Designation: D1_c
• Space Group: Aba2 (Cartesian and lattice coordinate listings available)
• Number: 41
• Reference: Pearson's Handbook, Vol. IV.
• Other compounds with this structure: AuSn₄, BiPb₇Pt₂, IrSn₄, PdSn₄
• Primitive Vectors:

  A1	=	a X
  A2	=	½ b Y - ½ c Z
  A3	=	½ b Y + ½ c Z

• Basis Vectors:

  B1	=	- z1 A2 + z1 A3	=	+ z1 c Z	(Pt)	(4a)
  B2	=	+ ½ A2 + (½ - z1) A2 + (½ + z1) A3	=	+ ½ a X + ½ b Y + z1 c Z	(Pt)	(4a)
  B3	=	+ x2 A1 + (y2 - z2) A2 + (y2 + z2) A3	=	+ x2 a X + y2 b Y + z2 c Z	(Sn-I)	(8b)
  B4	=	- x2 A1 - (y2 + z2) A2 - (y2 - z2) A3	=	- x2 a X - y2 b Y + z2 c Z	(Sn-I)	(8b)
  B5	=	+ (x2 - ½) A1 + (½ - y2 - z2) A2 + (½ - y2 + z2) A3	=	+ (x2 - ½) a X + (y2 + ½) b Y + z2 c Z	(Sn-I)	(8b)
  B6	=	+ (½ - x2) A1 + (y2 - z2 - ½) A2 + (y2 + z2 + ½) A3	=	+ (½ - x2) a X + (y2 - ½) b Y + z2 c Z	(Sn-I)	(8b)
  B7	=	+ x3 A1 + (y3 - z3) A2 + (y3 + z3) A3	=	+ x3 a X + y3 b Y + z3 c Z	(Sn-II)	(8b)
  B8	=	- x3 A1 - (y3 + z3) A2 - (y3 - z3) A3	=	- x3 a X - y3 b Y + z3 c Z	(Sn-II)	(8b)
  B9	=	+ (x3 - ½) A1 + (½ - y3 - z3) A2 + (½ - y3 + z3) A3	=	+ (x3 - ½) a X + (y3 + ½) b Y + z3 c Z	(Sn-II)	(8b)
  B10	=	+ (½ - x3) A1 + (y3 - z3 - ½) A2 + (y3 + z3 + ½) A3	=	+ (½ - x3) a X + (y3 - ½) b Y + z3 c Z	(Sn-II)	(8b)

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Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).